UCSF

ZINC22038145

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 17 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.42 4.15 -34.93 2 3 1 28 235.351 4
Mid Mid (pH 6-8) 1.42 1.77 -4.51 1 3 0 27 234.343 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )